| Properties | Image |
|---|
| MNX_ID | MNXM1138419 |
 |
| reference | envipathM:...738f37eed8f2 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | NGUAJUZPTOOYJT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-28-37-52(59)64-42(39-62-51(58)36-27-21-18-19-25-34-48-50(67-48)38-49-47(66-49)32-7-5-2)40-63-54(61)44(57)30-24-22-23-26-33-45-46(65-45)35-29-31-43(56)53(60)41(3)55/h9-10,29,31,41-50,53,55-57,60H,4-8,11-28,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)C(O)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-28-37-52(59)64-42(39-62-51(58)36-27-21-18-19-25-34-48-50(67-48)38-49-47(66-49)32-7-5-2)40-63-54(61)44(57)30-24-22-23-26-33-45-46(65-45)35-29-31-43(56)53(60)41(3)55/h9-10,29,31,41-50,53,55-57,60H,4-8,11-28,30,32-40H2,1-3H3/b10-9?,31-29?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:28][CH2:37][C:52](=[O:59])[O:64][CH:42]([CH2:39][O:62][C:51]([CH2:36][CH2:27][CH2:21][CH2:18][CH2:19][CH2:25][CH2:34][CH:48]1[CH:50]([CH2:38][CH:49]2[CH:47]([CH2:32][CH2:7][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:30][CH2:24][CH2:22][CH2:23][CH2:26][CH2:33][CH:45]1[CH:46]([CH2:35][CH:29]=[CH:31][CH:43]([CH:53]([CH:41]([CH3:3])[OH:55])[OH:60])[OH:56])[O:65]1)[OH:57])=[O:61] |
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